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A great many initial configurations of Ag n V clusters were constructed by using CALYPSO which is an efficient structure prediction method [63].
In the present study, the SAR clusters were constructed using five different similarity measures: (ST^{{ST{text -}opt}}), (ComboT^{{ST{text -}opt}}), (CT^{{CT{text -}opt}}), (ComboT^{{CT{text -}opt}}), and 2-D Tanimoto.
The SAR clusters were constructed using the Taylor Butina grouping algorithm [36 39] with each of the five different similarity measures: (ST^{{ST{text -}opt}}), (ComboT^{{ST{text -}opt}}), (CT^{{CT{text -}opt}}), (ComboT^{{CT{text -}opt}}), and 2-D Tanimoto.
Whereas the 2-D clusters were constructed through a "direct" clustering of the compounds being considered, the 3-D cluster construction involved an "indirect" clustering of the compounds, meaning that their multiple conformers were clustered first, then the conformer identifiers were converted to their corresponding compound identifiers (i.e., CIDs).
In the present study, the SAR clusters were constructed for three different sets (i.e., Sets A, B, and C) of compounds that were tested to be "non-inactive" in at least one assay archived in the PubChem BioAssay database [4] (as of September 2010).
Frequency distributions of the lengths of such clusters were constructed for clusters from both strands in Figure 7 and for each strand separately in Figure S3.
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Static clusters are constructed according to the geographical criteria.
Clusters are constructed with a high stability and good connectivity.
Compound clusters are constructed by replacing the conformers with the respective compounds (in the right panel).
From here, clusters are constructed as groups of servers and clouds are built from a collection of clusters.
We assume that the clusters are constructed in a way that the destinations are able to decode the intended message.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com